N-(cyanomethyl)-2-[(3-cyanophenyl)methylsulfonylmethyl]-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(cyanomethyl)-2-[(3-cyanophenyl)methylsulfonylmethyl]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 2-(benzylsulfonylmethyl)-N-(cyanomethyl)-3-[(3-cyanophenyl)methylsulfonyl]propanamide CAS Name: N-(cyanomethyl)-2-[(3-cyanophenyl)methylsulfonylmethyl]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 2-(benzylsulfonylmethyl)-N-(cyanomethyl)-3-[(3-cyanophenyl)methylsulfonyl]propanamide Traditional Name: 2-(benzylsulfonylmethyl)-3-(3-cyanobenzyl)sulfonyl-N-(cyanomethyl)propionamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(CS(=O)(=O)CC2=CC=CC(=C2)C#N)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(CS(=O)(=O)CC2=CC=CC(=C2)C#N)C(=O)NCC#N

InChI

InChI=1S/C21H21N3O5S2/c22-9-10-24-21(25)20(15-30(26,27)13-17-5-2-1-3-6-17)16-31(28,29)14-19-8-4-7-18(11-19)12-23/h1-8,11,20H,10,13-16H2,(H,24,25)